Np2AlSiPt6
Alexandria ALEXAlex-ID: agm004941222 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_455_spg166
NpPt2 NpSiPt3 AlPt
2023-01-10 07:00:23.714714
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004941222).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004941222
data_agm004941222
_cell_length_a 8.12704
_cell_length_b 5.57592
_cell_length_c 5.57733
_cell_angle_alpha 59.96865
_cell_angle_beta 69.92871
_cell_angle_gamma 90.00132
_cell_volume 200.88349
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Np1 Np 0.39577 0.79845 0.40284 1.00000
Np2 Np 0.60423 0.20155 0.59716 1.00000
Al1 Al 0.50000 0.50000 0.00000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.23721 0.74306 0.00997 1.00000
Pt2 Pt 0.76281 0.75353 0.98980 1.00000
Pt3 Pt 0.23750 0.24665 0.50631 1.00000
Pt4 Pt 0.76279 0.25694 0.99003 1.00000
Pt5 Pt 0.23719 0.24647 0.01020 1.00000
Pt6 Pt 0.76250 0.75335 0.49369 1.00000
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